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4-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, tms derivative
SpectraBase Compound ID A6AQ7fn73a
InChI InChI=1S/C18H16N2O6Si/c1-27(2,3)26-18(23)11-4-6-12(7-5-11)19-16(21)14-9-8-13(20(24)25)10-15(14)17(19)22/h4-10H,1-3H3
InChIKey FQYVECXJWYYPJT-UHFFFAOYSA-N
Mol Weight 384.42 g/mol
Molecular Formula C18H16N2O6Si
Exact Mass 384.077763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55KlzFP05Fl
Name 4-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 384.077762772 u
Formula C18H16N2O6Si
InChI InChI=1S/C18H16N2O6Si/c1-27(2,3)26-18(23)11-4-6-12(7-5-11)19-16(21)14-9-8-13(20(24)25)10-15(14)17(19)22/h4-10H,1-3H3
InChIKey FQYVECXJWYYPJT-UHFFFAOYSA-N
Molecular Weight 384.419 g/mol
SMILES C(C1=CC=C(C=C1)N1C(C2=C(C1=O)C=C(C=C2)N(=O)=O)=O)(=O)O[Si](C)(C)C